Front Cover: Rationalising Supramolecular Hydrogelation of Bis‐Urea‐Based Gelators through a Multiscale Approach (ChemPlusChem 2/2020)

Abstract

The cover picture shows the clustering of bis‐urea‐based hydrogelator molecules as the reflection in a camera lens. A combination of computational techniques, such as density functional theory, molecular dynamics and the noncovalent interaction index, is used to virtually zoom in on the self‐assembly behavior of these molecules. This integrated approach allows rationalization of the experimentally observed gelation performance in a library of newly synthesized bis‐urea based derivatives, from which three efficient hydrogelators were discovered. More details are given in the Full Paper by M. Alonso and co‐workers on page 267 in Issue 2, 2020 (DOI: 10.1002/cplu.201900551).